SCHEMBL9861372

SCHEMBL9861372

CCc1cccc(CSOS(=O)(=O)OC)c1.Cc1cc(C)cc(CSOS(=O)(=O)O)c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.33
CA2 P00918 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
MAPT P10636 2/20 0.31
POLB P06746 3/20 0.31
ALDH1A1 P00352 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 2/20 0.31
HPGD P15428 2/20 0.31
BCL2 P10415 1/20 0.31
KMT2A Q03164 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10859461 0.86 NPC1 (0.36) RAPGEF4CA2TAS1R3TAS1R1TAS1R2
SCHEMBL9861772 0.79 TAAR1 (0.47) NPSR1TAAR1MAPTPOLBALDH1A1
SCHEMBL10857016 0.79 POLB (0.38) POLBALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL9861771 0.70 IDO1 (0.43) CA2MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL9861121 0.70 IDO1 (0.49) TAAR1LMNAKMT2A
SCHEMBL9861067 0.70 SMN1; SMN2 (0.43) CA2MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL9861375 0.69 RAB9A (0.43) TAAR1POLBALDH1A1KMT2A
SCHEMBL9861031 0.68 BCHE (0.44) CA2MAPTALDH1A1KMT2A
SCHEMBL9861108 0.67 CA12 (0.46) CA2BCL2
SCHEMBL9860936 0.67 TRPA1 (0.34) CA2MAPTPOLBALDH1A1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0150168-B1 USE OF METAL SALTS OF THIOSULPHURIC -S-ESTERS AS RUBBER/METAL BONDING PROMOTERS MONSANTO EUROPE S.A./N.V. (BE) 1991-05-08 EP disclosed